N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

C29H28N4O2 — CID 58859819

IUPACN-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc21
InChIInChI=1S/C29H28N4O2/c1-3-28(34)33(24-10-5-4-6-11-24)27-20-21(2)32(26-13-8-7-12-25(26)27)29(35)22-14-16-23(17-15-22)31-19-9-18-30-31/h4-19,21,27H,3,20H2,1-2H3
InChIKeyWWSUMXVAHGDALA-UHFFFAOYSA-N
MW464.57 g/mol
LogP5.80
Rot. Bonds5

About N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide

N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (PubChem CID 58859819) has the molecular formula C29H28N4O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
PubChem CID58859819
Molecular FormulaC29H28N4O2
Molecular Weight464.57 g/mol
Exact Mass464.22
IUPAC NameN-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc21
InChIInChI=1S/C29H28N4O2/c1-3-28(34)33(24-10-5-4-6-11-24)27-20-21(2)32(26-13-8-7-12-25(26)27)29(35)22-14-16-23(17-15-22)31-19-9-18-30-31/h4-19,21,27H,3,20H2,1-2H3
InChIKeyWWSUMXVAHGDALA-UHFFFAOYSA-N
XLogP5.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.57
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide (CID 58859819) is N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(-n3cccn3)cc2)c2ccccc21.
What is the InChIKey of N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
The InChIKey is WWSUMXVAHGDALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O2/c1-3-28(34)33(24-10-5-4-6-11-24)27-20-21(2)32(26-13-8-7-12-25(26)27)29(35)22-14-16-23(17-15-22)31-19-9-18-30-31/h4-19,21,27H,3,20H2,1-2H3.
What are the key properties of N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide?
N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide has a molecular weight of 464.57 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(4-pyrazol-1-ylbenzoyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 58859819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).